4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide

C23H23ClN4O3 — CID 136964905

IUPAC4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)cc1C(=O)N(C)C
InChIInChI=1S/C23H23ClN4O3/c1-13-10-19(24)18(11-17(13)22(29)28(2)3)21-25-20(26-23(30)27-21)15-6-8-16(9-7-15)31-12-14-4-5-14/h6-11,14H,4-5,12H2,1-3H3,(H,25,26,27,30)
InChIKeyBMPPVBUMIZZZFE-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.95
Rot. Bonds6

About 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide

4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide (PubChem CID 136964905) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide
PubChem CID136964905
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide
SMILESCc1cc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)cc1C(=O)N(C)C
InChIInChI=1S/C23H23ClN4O3/c1-13-10-19(24)18(11-17(13)22(29)28(2)3)21-25-20(26-23(30)27-21)15-6-8-16(9-7-15)31-12-14-4-5-14/h6-11,14H,4-5,12H2,1-3H3,(H,25,26,27,30)
InChIKeyBMPPVBUMIZZZFE-UHFFFAOYSA-N
XLogP3.95
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide with MolForge

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Related Compounds

N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide
CID 136964969
N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 136964914
6-[2-chloro-5-(4-ethyl-3-oxohexyl)phenyl]-4-[4-(cyclopropylmethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 159672662
N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 136965011
N-[[4-chloro-3-[6-oxo-4-(4-propan-2-yloxyphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 136965052
4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216978
N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
CID 137301877
N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 119582823
3-(cyclopropylmethoxy)-N-(3,5-dichloro-2-methyl-4-pyridinyl)-N-methylbenzamide
CID 121444070
1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
CID 68759784
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
5-amino-2-(cyclopropylmethoxy)-N,N-dimethylbenzamide
CID 134821730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide (CID 136964905) is 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide is Cc1cc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)cc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide?
The InChIKey is BMPPVBUMIZZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-13-10-19(24)18(11-17(13)22(29)28(2)3)21-25-20(26-23(30)27-21)15-6-8-16(9-7-15)31-12-14-4-5-14/h6-11,14H,4-5,12H2,1-3H3,(H,25,26,27,30).
What are the key properties of 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide?
4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide has a molecular weight of 438.92 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 136964905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).